5-[[(2S)-oxolan-2-yl]methylsulfamoyl]-2-[[(2S)-pentan-2-yl]amino]benzoic acid

C17H26N2O5S — CID 99985657

IUPAC5-[[(2S)-oxolan-2-yl]methylsulfamoyl]-2-[[(2S)-pentan-2-yl]amino]benzoic acid
SMILESCCC[C@H](C)Nc1ccc(S(=O)(=O)NC[C@@H]2CCCO2)cc1C(=O)O
InChIInChI=1S/C17H26N2O5S/c1-3-5-12(2)19-16-8-7-14(10-15(16)17(20)21)25(22,23)18-11-13-6-4-9-24-13/h7-8,10,12-13,18-19H,3-6,9,11H2,1-2H3,(H,20,21)/t12-,13-/m0/s1
InChIKeyJSPWQBFTYDAXFI-STQMWFEESA-N
MW370.47 g/mol
LogP2.44
Rot. Bonds9

About 5-[[(2S)-oxolan-2-yl]methylsulfamoyl]-2-[[(2S)-pentan-2-yl]amino]benzoic acid

5-[[(2S)-oxolan-2-yl]methylsulfamoyl]-2-[[(2S)-pentan-2-yl]amino]benzoic acid (PubChem CID 99985657) has the molecular formula C17H26N2O5S and a molecular weight of 370.47 g/mol. Its IUPAC name is 5-[[(2S)-oxolan-2-yl]methylsulfamoyl]-2-[[(2S)-pentan-2-yl]amino]benzoic acid.

Molecular Properties

Compound Name5-[[(2S)-oxolan-2-yl]methylsulfamoyl]-2-[[(2S)-pentan-2-yl]amino]benzoic acid
PubChem CID99985657
Molecular FormulaC17H26N2O5S
Molecular Weight370.47 g/mol
Exact Mass370.16
IUPAC Name5-[[(2S)-oxolan-2-yl]methylsulfamoyl]-2-[[(2S)-pentan-2-yl]amino]benzoic acid
SMILESCCC[C@H](C)Nc1ccc(S(=O)(=O)NC[C@@H]2CCCO2)cc1C(=O)O
InChIInChI=1S/C17H26N2O5S/c1-3-5-12(2)19-16-8-7-14(10-15(16)17(20)21)25(22,23)18-11-13-6-4-9-24-13/h7-8,10,12-13,18-19H,3-6,9,11H2,1-2H3,(H,20,21)/t12-,13-/m0/s1
InChIKeyJSPWQBFTYDAXFI-STQMWFEESA-N
XLogP2.44
TPSA104.73 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds9
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500370.47
LogP ≤ 52.44
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

Analyze 5-[[(2S)-oxolan-2-yl]methylsulfamoyl]-2-[[(2S)-pentan-2-yl]amino]benzoic acid with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

2-[[(2S)-butan-2-yl]amino]-5-[[(2R)-oxolan-2-yl]methylsulfamoyl]benzoic acid
CID 99985387
2-(1-methoxypropan-2-ylamino)-5-(oxolan-2-ylmethylsulfamoyl)benzoic acid
CID 133144403
2-[[(2R)-1-methoxypropan-2-yl]amino]-5-[[(2R)-oxolan-2-yl]methylsulfamoyl]benzoic acid
CID 99985676
2-(ethylamino)-5-[[(2R)-oxolan-2-yl]methylsulfamoyl]benzoic acid
CID 99988830
2-(ethylamino)-5-(oxolan-2-ylmethylsulfamoyl)benzoic acid
CID 133167657
2-(tert-butylamino)-5-[[(2R)-oxolan-2-yl]methylsulfamoyl]benzoic acid
CID 99985396
2-methyl-5-(oxolan-2-ylmethylsulfamoyl)benzoic acid
CID 43081600
5-(3-methylbutylsulfamoyl)-2-[[(2R)-oxolan-2-yl]methylamino]benzoic acid
CID 99986424
2-(pentan-2-ylamino)-5-(pentylsulfamoyl)benzoic acid
CID 132653822
2-(3-methoxypropylamino)-5-[[(2S)-oxolan-2-yl]methylsulfamoyl]benzoic acid
CID 99985482
2-[[(2S)-oxolan-2-yl]methylamino]-5-(3-propan-2-yloxypropylsulfamoyl)benzoic acid
CID 99986124
2-(furan-2-ylmethylamino)-5-(oxolan-2-ylmethylsulfamoyl)benzoic acid
CID 133144397

Frequently Asked Questions

What is the IUPAC name of 5-[[(2S)-oxolan-2-yl]methylsulfamoyl]-2-[[(2S)-pentan-2-yl]amino]benzoic acid?
The IUPAC name of 5-[[(2S)-oxolan-2-yl]methylsulfamoyl]-2-[[(2S)-pentan-2-yl]amino]benzoic acid (CID 99985657) is 5-[[(2S)-oxolan-2-yl]methylsulfamoyl]-2-[[(2S)-pentan-2-yl]amino]benzoic acid.
What is the SMILES notation for 5-[[(2S)-oxolan-2-yl]methylsulfamoyl]-2-[[(2S)-pentan-2-yl]amino]benzoic acid?
The canonical SMILES for 5-[[(2S)-oxolan-2-yl]methylsulfamoyl]-2-[[(2S)-pentan-2-yl]amino]benzoic acid is CCC[C@H](C)Nc1ccc(S(=O)(=O)NC[C@@H]2CCCO2)cc1C(=O)O.
What is the InChIKey of 5-[[(2S)-oxolan-2-yl]methylsulfamoyl]-2-[[(2S)-pentan-2-yl]amino]benzoic acid?
The InChIKey is JSPWQBFTYDAXFI-STQMWFEESA-N. The full InChI is InChI=1S/C17H26N2O5S/c1-3-5-12(2)19-16-8-7-14(10-15(16)17(20)21)25(22,23)18-11-13-6-4-9-24-13/h7-8,10,12-13,18-19H,3-6,9,11H2,1-2H3,(H,20,21)/t12-,13-/m0/s1.
What are the key properties of 5-[[(2S)-oxolan-2-yl]methylsulfamoyl]-2-[[(2S)-pentan-2-yl]amino]benzoic acid?
5-[[(2S)-oxolan-2-yl]methylsulfamoyl]-2-[[(2S)-pentan-2-yl]amino]benzoic acid has a molecular weight of 370.47 g/mol, XLogP of 2.44, 9 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[[(2S)-oxolan-2-yl]methylsulfamoyl]-2-[[(2S)-pentan-2-yl]amino]benzoic acid is sourced from PubChem (CID 99985657), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).